3-[8-[[(3S)-1-ethanoylpyrrolidin-3-yl]amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[[(3S)-1-ethanoylpyrrolidin-3-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[(3S)-1-acetyl-3-pyrrolidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[(3S)-1-acetylpyrrolidin-3-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-6-isoquinolyl]benzonitrile Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C1)NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC(=O)N1CC[C@@H](C1)NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H20N4O/c1-15(27)26-8-6-20(14-26)25-22-11-19(10-18-5-7-24-13-21(18)22)17-4-2-3-16(9-17)12-23/h2-5,7,9-11,13,20,25H,6,8,14H2,1H3/t20-/m0/s1